SCHEMBL2863351

SCHEMBL2863351

O=C(O)c1ccccc1Cc1cccs1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.67
▸ TSHR P16473 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ CYP2C19 P33261 1/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29021977 0.85 FOLH1 (0.54) CYP2C9TSHRLMNAALOX15CYP2C19
SCHEMBL13692320 0.85 CYP2C9 (0.53) CYP2C9TSHRLMNAALOX15CYP2C19
SCHEMBL30687339 0.85 CYP2C9 (0.53) CYP2C9TSHRLMNAALOX15CYP2C19
SCHEMBL2308742 0.85 CYP2C9 (0.53) CYP2C9TSHRLMNACYP2C19HPGD
SCHEMBL11482363 0.84 CYP2C9 (0.60) CYP2C9TSHRLMNAALOX15CYP2C19
Hydrochloric Acid SCHEMBL28152222 0.83 CYP2C9 (0.51) CYP2C9TSHRLMNACYP2C19HPGD
SCHEMBL13687538 0.82 CYP2C9 (0.50) CYP2C9TSHRCYP2C19HPGDMEN1
SCHEMBL30505689 0.79 CYP2C9 (0.50) CYP2C9TSHRLMNACYP2C19HPGD
SCHEMBL69352 0.79 TSHR (0.68) CYP2C9TSHRALOX15FOLH1HPGD
SCHEMBL17938486 0.77 TSHR (0.66) CYP2C9TSHRALOX15FOLH1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285520-A Medical use of carboxamide derivative, carboxamide derivative and pharmaceutical composition containing carboxamide derivative 上海科技大学 2023-12-26 — — CN disclosed
EP-2828904-B1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES RAYNERGY TEK INC (TW) 2019-06-12 — — EP disclosed
EP-2828903-B1 OPTOELECTRONIC DEVICES COMPRISING POLYMERIC BLENDS RAYNERGY TEK INC (TW) 2017-11-01 — — EP disclosed
CN-102083836-B Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX INC 2015-01-28 — — CN disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 — — US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 — — US disclosed
CN-102083836-A Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX INC 2011-06-01 — — CN disclosed
EP-2254891-A2 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS Senomyx, Inc. (US) 2010-12-01 — — EP disclosed
WO-2009111447-A2 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2009-09-11 — — WO disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 — — US disclosed
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 — — WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 CYP2C9 1829/4885TSHR 1685/4885LMNA 4323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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